1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde

C14H21N3O2 — CID 62929774

IUPAC1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde
SMILESCC(C)(C)n1ccnc(N2CCCCC2C=O)c1=O
InChIInChI=1S/C14H21N3O2/c1-14(2,3)17-9-7-15-12(13(17)19)16-8-5-4-6-11(16)10-18/h7,9-11H,4-6,8H2,1-3H3
InChIKeyUNIIKYAMTGUWNB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.56
Rot. Bonds2

About 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde

1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde (PubChem CID 62929774) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde
PubChem CID62929774
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde
SMILESCC(C)(C)n1ccnc(N2CCCCC2C=O)c1=O
InChIInChI=1S/C14H21N3O2/c1-14(2,3)17-9-7-15-12(13(17)19)16-8-5-4-6-11(16)10-18/h7,9-11H,4-6,8H2,1-3H3
InChIKeyUNIIKYAMTGUWNB-UHFFFAOYSA-N
XLogP1.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde (CID 62929774) is 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde is CC(C)(C)n1ccnc(N2CCCCC2C=O)c1=O.
What is the InChIKey of 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde?
The InChIKey is UNIIKYAMTGUWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)17-9-7-15-12(13(17)19)16-8-5-4-6-11(16)10-18/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde?
1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde has a molecular weight of 263.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde is sourced from PubChem (CID 62929774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).